SCHEMBL6173807

SCHEMBL6173807

Cc1cc(OCC=Cc2ccccc2)cc(=O)o1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 2/20 0.50
▸ MAOB P27338 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ TP53 P04637 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ LTB4R Q15722 1/20 0.42
▸ LTB4R2 Q9NPC1 1/20 0.42
▸ PPARA Q07869 3/20 0.42
▸ PPARD Q03181 2/20 0.42
▸ PPARG P37231 2/20 0.42
▸ IDO1 P14902 2/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ RELA Q04206 1/20 0.40
▸ ALOX5 P09917 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6173811 1.00 MAOA (0.50) MAOAMAOBALDH1A1SMN1; SMN2TP53
SCHEMBL4516193 0.75 MAOB (0.58) MAOAMAOBALDH1A1SMN1; SMN2NPC1
SCHEMBL18292781 0.73 MTNR1A (0.67) MAOAMAOBALDH1A1NPC1KMT2A
SCHEMBL1158152 0.73 IDO1 (0.61) MAOAMAOBNPC1RAB9APPARA
SCHEMBL11426742 0.73 IDO1 (0.61) MAOAMAOBNPC1RAB9APPARA
SCHEMBL1158153 0.73 IDO1 (0.61) MAOAMAOBNPC1RAB9APPARA
SCHEMBL7352572 0.71 CA12 (0.67) MAOAMAOBALDH1A1SMN1; SMN2CYP3A4
SCHEMBL7352562 0.71 CA12 (0.67) MAOAMAOBALDH1A1SMN1; SMN2CYP3A4
SCHEMBL9201444 0.71 LTB4R (0.54) MAOAMAOBNPC1RAB9ALTB4R
SCHEMBL9201451 0.71 LTB4R (0.54) MAOAMAOBNPC1RAB9ALTB4R

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1203770-B1 Pyran-2-ones and 5,6-dihydropyran-2-ones useful for treating hyperplasia and other diseases UPJOHN CO (US) 2005-03-09 — — EP disclosed
EP-0668860-B1 PYRAN-2-ONES AND 5,6-DIHYDROPYRAN-2-ONES USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES UPJOHN CO (US) 2002-09-11 — — EP disclosed
EP-1203770-A1 Pyran-2-ones and 5,6-dihydropyran-2-ones useful for treating hyperplasia and other diseases PHARMACIA & UPJOHN COMPANY (US) 2002-05-08 — — EP disclosed
WO-1994011361-A1 PYRAN-2-ONES AND 5,6-DIHYDROPYRAN-2-ONES USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES THE UPJOHN COMPANY (US) 1994-05-26 — — WO disclosed
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